AURKA_UMN

original location: /cbio/jclab/conditions/behrj/AURKA_UMN

Correlation timeplot scripts found at AURKA_UMN/analyze/analyze-hbond-correlation-times/

Manifest

• spin-probe-analysis/ - analysis of spin probes (PROJ11431)
• spin-probe_charmm_setup/ - setup files for the spin probe FAH simulations
• wt_charmm_setup/ - setup files for the WT +/- Phos +/- TPX2 data using CHARMM
• new_phos_analysis - analysis of WT AMBER data, with the most complete dataset

FAH project index

Projects to be analyzed for manuscript: (in all cases, crystallographic waters were preserved for initial setup)

• 11414: AurA +TPX2, pdb 1OL5
  • RUN0: WT
  • RUN1: Q185C
  • RUN2: Q185L
  • RUN3: Q185M
  • RUN4: Q185N
• 11419: AurA +TPX2, pdb 1OL5
  • RUN0: WT
  • RUN1: WT
  • RUN2: WT
  • RUN3: WT
  • RUN4: Q185H -- has no data, input was broken
  • RUN5: C247A
  • RUN6: C247L
• 11418: AurA -TPX2, pdb 1OL5
  • RUN0: WT
  • RUN1: WT
  • RUN2: WT
  • RUN3: WT
  • RUN4: WT
• 11423: AurA -TPX2, pdb 1OL5
  • RUN0: Q185C
  • RUN1: Q185L
  • RUN2: Q185M
  • RUN3: Q185N
  • RUN4: Q185H
  • RUN5: C247A
  • RUN6: C247L
• 11431: Spin probe labeled AURKA - pdbs: 1OL7-tpx2-new_03082017.pdb, 5L8K-tpx2-new_03072017.pdb, 1ol5-prepped.pdb (Note that each source PDB starts with a different residue number)
  • RUN0 1OL5-notpx2-nophos
  • RUN1 1OL5-notpx2-phos
  • RUN2 1OL5-tpx2-nophos
  • RUN3 1OL5-tpx2-phos
  • RUN4 1OL7-notpx2-nophos
  • RUN5 1OL7-notpx2-phos
  • RUN6 1OL7-tpx2-nophos
  • RUN7 1OL7-tpx2-phos
  • RUN8 5L8K-notpx2-nophos
  • RUN9 5L8K-notpx2-phos
  • RUN10 5L8K-tpx2-nophos
  • RUN11 5L8K-tpx2-phos
• 11432: WT CHARMM AURKA, all from pdb 1OL5
  • RUN0 TPX2 Phos
  • RUN1 TPX2 noPhos
  • RUN2 noTPX2 Phos
  • RUN3 noTPX2 noPhos